2-(iodoamino)-1H-pyridin-4-one

C5H5IN2O — CID 126549415

IUPAC2-(iodoamino)-1H-pyridin-4-one
SMILESO=c1cc[nH]c(NI)c1
InChIInChI=1S/C5H5IN2O/c6-8-5-3-4(9)1-2-7-5/h1-3H,(H2,7,8,9)
InChIKeyLNKKVUJHHLVPMB-UHFFFAOYSA-N
MW236.01 g/mol
LogP1.14
Rot. Bonds1

About 2-(iodoamino)-1H-pyridin-4-one

2-(iodoamino)-1H-pyridin-4-one (PubChem CID 126549415) has the molecular formula C5H5IN2O and a molecular weight of 236.01 g/mol. Its IUPAC name is 2-(iodoamino)-1H-pyridin-4-one.

Molecular Properties

Compound Name2-(iodoamino)-1H-pyridin-4-one
PubChem CID126549415
Molecular FormulaC5H5IN2O
Molecular Weight236.01 g/mol
Exact Mass235.94
IUPAC Name2-(iodoamino)-1H-pyridin-4-one
SMILESO=c1cc[nH]c(NI)c1
InChIInChI=1S/C5H5IN2O/c6-8-5-3-4(9)1-2-7-5/h1-3H,(H2,7,8,9)
InChIKeyLNKKVUJHHLVPMB-UHFFFAOYSA-N
XLogP1.14
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.01
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(iodoamino)-1H-pyridin-4-one?
The IUPAC name of 2-(iodoamino)-1H-pyridin-4-one (CID 126549415) is 2-(iodoamino)-1H-pyridin-4-one.
What is the SMILES notation for 2-(iodoamino)-1H-pyridin-4-one?
The canonical SMILES for 2-(iodoamino)-1H-pyridin-4-one is O=c1cc[nH]c(NI)c1.
What is the InChIKey of 2-(iodoamino)-1H-pyridin-4-one?
The InChIKey is LNKKVUJHHLVPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5IN2O/c6-8-5-3-4(9)1-2-7-5/h1-3H,(H2,7,8,9).
What are the key properties of 2-(iodoamino)-1H-pyridin-4-one?
2-(iodoamino)-1H-pyridin-4-one has a molecular weight of 236.01 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(iodoamino)-1H-pyridin-4-one is sourced from PubChem (CID 126549415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).